Geometry & MOs

Info

ID:	52396
PubChem CID:	12015247
Reduced:	O6C33H40 (1)
Stoich.:	A6B33C40 (1)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	4.45
IP(EA), eV:	-8.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1,6-dioxacyclododec-3-en-9-yne-2,5-dione

Drug info:

PubChemData

Smile

CC#CCCCC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)CCCC#CC

DOS

IR

Vibrations